CID 3059670

Brn 6015140

Structural Information

Molecular Formula
C19H18BrN5O4
SMILES
COC1=CC=CC=C1NC(=O)NC(=O)CNCN2C=NC3=C(C2=O)C=C(C=C3)Br
InChI
InChI=1S/C19H18BrN5O4/c1-29-16-5-3-2-4-15(16)23-19(28)24-17(26)9-21-10-25-11-22-14-7-6-12(20)8-13(14)18(25)27/h2-8,11,21H,9-10H2,1H3,(H2,23,24,26,28)
InChIKey
OZDCNDQGTBUWTD-UHFFFAOYSA-N
Compound name
2-[(6-bromo-4-oxoquinazolin-3-yl)methylamino]-N-[(2-methoxyphenyl)carbamoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.05423 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.06151 195.0
[M+Na]+ 482.04345 196.9
[M+NH4]+ 477.08805 196.0
[M+K]+ 498.01739 197.3
[M-H]- 458.04695 196.4
[M+Na-2H]- 480.02890 197.5
[M]+ 459.05368 194.1
[M]- 459.05478 194.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.